SCHEMBL3071546

SCHEMBL3071546

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCOCc4cc(F)ccc4F)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.44
CYP3A4 P08684 3/20 0.43
UTS2R Q9UKP6 1/20 0.38
HTR2A P28223 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3069728 0.91 REN (0.40) RENCYP3A4HTR2A
SCHEMBL3072592 0.89 REN (0.41) RENCYP3A4UTS2R
SCHEMBL3072557 0.87 REN (0.42) RENCYP3A4UTS2R
SCHEMBL3065054 0.87 REN (0.41) RENCYP3A4UTS2RHTR2A
SCHEMBL3083234 0.86 REN (0.48) RENCYP3A4
SCHEMBL3077558 0.86 UTS2R (0.42) RENCYP3A4UTS2RHTR2A
SCHEMBL3083965 0.86 UTS2R (0.39) RENCYP3A4UTS2RHTR2A
SCHEMBL3066500 0.86 REN (0.48) RENCYP3A4
SCHEMBL3069812 0.86 UTS2R (0.43) RENCYP3A4UTS2RHTR2A
SCHEMBL3071485 0.85 UTS2R (0.40) RENCYP3A4UTS2RHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012055-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885UTS2R 514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.